4-(dimethylsulfamoyl)-N-[3-(4-fluorophenyl)-2-methyl-4-oxoquinazolin-6-yl]benzamide

C24H21FN4O4S — CID 30867482

IUPAC4-(dimethylsulfamoyl)-N-[3-(4-fluorophenyl)-2-methyl-4-oxoquinazolin-6-yl]benzamide
SMILESCc1nc2ccc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)cc2c(=O)n1-c1ccc(F)cc1
InChIInChI=1S/C24H21FN4O4S/c1-15-26-22-13-8-18(14-21(22)24(31)29(15)19-9-6-17(25)7-10-19)27-23(30)16-4-11-20(12-5-16)34(32,33)28(2)3/h4-14H,1-3H3,(H,27,30)
InChIKeyBJXWYVSEDJWAJB-UHFFFAOYSA-N
MW480.52 g/mol
LogP3.34
Rot. Bonds5

About 4-(dimethylsulfamoyl)-N-[3-(4-fluorophenyl)-2-methyl-4-oxoquinazolin-6-yl]benzamide

4-(dimethylsulfamoyl)-N-[3-(4-fluorophenyl)-2-methyl-4-oxoquinazolin-6-yl]benzamide (PubChem CID 30867482) has the molecular formula C24H21FN4O4S and a molecular weight of 480.52 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-[3-(4-fluorophenyl)-2-methyl-4-oxoquinazolin-6-yl]benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-[3-(4-fluorophenyl)-2-methyl-4-oxoquinazolin-6-yl]benzamide
PubChem CID30867482
Molecular FormulaC24H21FN4O4S
Molecular Weight480.52 g/mol
Exact Mass480.13
IUPAC Name4-(dimethylsulfamoyl)-N-[3-(4-fluorophenyl)-2-methyl-4-oxoquinazolin-6-yl]benzamide
SMILESCc1nc2ccc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)cc2c(=O)n1-c1ccc(F)cc1
InChIInChI=1S/C24H21FN4O4S/c1-15-26-22-13-8-18(14-21(22)24(31)29(15)19-9-6-17(25)7-10-19)27-23(30)16-4-11-20(12-5-16)34(32,33)28(2)3/h4-14H,1-3H3,(H,27,30)
InChIKeyBJXWYVSEDJWAJB-UHFFFAOYSA-N
XLogP3.34
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.52
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-[3-(4-fluorophenyl)-2-methyl-4-oxoquinazolin-6-yl]benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-[3-(4-fluorophenyl)-2-methyl-4-oxoquinazolin-6-yl]benzamide (CID 30867482) is 4-(dimethylsulfamoyl)-N-[3-(4-fluorophenyl)-2-methyl-4-oxoquinazolin-6-yl]benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-[3-(4-fluorophenyl)-2-methyl-4-oxoquinazolin-6-yl]benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-[3-(4-fluorophenyl)-2-methyl-4-oxoquinazolin-6-yl]benzamide is Cc1nc2ccc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)cc2c(=O)n1-c1ccc(F)cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-[3-(4-fluorophenyl)-2-methyl-4-oxoquinazolin-6-yl]benzamide?
The InChIKey is BJXWYVSEDJWAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O4S/c1-15-26-22-13-8-18(14-21(22)24(31)29(15)19-9-6-17(25)7-10-19)27-23(30)16-4-11-20(12-5-16)34(32,33)28(2)3/h4-14H,1-3H3,(H,27,30).
What are the key properties of 4-(dimethylsulfamoyl)-N-[3-(4-fluorophenyl)-2-methyl-4-oxoquinazolin-6-yl]benzamide?
4-(dimethylsulfamoyl)-N-[3-(4-fluorophenyl)-2-methyl-4-oxoquinazolin-6-yl]benzamide has a molecular weight of 480.52 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-[3-(4-fluorophenyl)-2-methyl-4-oxoquinazolin-6-yl]benzamide is sourced from PubChem (CID 30867482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).